>compound Caffeine
>formula C8H10N4O2
>parentmass 195.087009168187
>charge 1

>ms1peaks
138.069300873257 0.649499
188.798163028022 0.766941
195.087494579553 100.0
195.590586593033 0.534999

>collision 10.0
110.071064011749 1.03704
138.066060585802 8.20426
195.087009168187 100.0

>collision 20.0
42.03402105635 5.92485
56.0478630110975 1.28996
69.045384993951 3.22402
83.0603285537327 2.92584
109.036411817974 2.14982
110.071454849867 20.426
111.054249184503 0.945021
123.043082127214 3.22112
138.065871179454 100.0
138.343496500886 0.53866
138.929697855159 0.505828
194.82738027867 0.674821
195.088141853389 47.9215

>collision 40.0
40.0184043793892 3.1859
41.865018505534 1.33835
42.0341481417392 100.0
53.0173678191047 1.18253
54.0209175995783 3.48453
56.0502833515372 17.0671
67.031076768003 1.40239
68.0373083408299 7.66099
69.0449618144578 20.4687
77.037991837741 1.33491
81.032975699752 3.34848
82.0191434480198 1.87791
82.0521846081201 1.13726
83.060893196336 36.8226
96.0320828324897 1.79123
108.057603024201 1.1381
109.038597537235 2.65301
110.070783029914 7.73825
111.069324682733 1.70154
122.03512407303 1.28999
123.040009750232 14.9074
124.545817562503 1.2732
138.063297033475 6.74955

